[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride

C16H23ClN4O — CID 71639684

IUPAC[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
SMILESCCOc1nc2ccccc2nc1N1CCCCC1CN.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-2-21-16-15(20-10-6-5-7-12(20)11-17)18-13-8-3-4-9-14(13)19-16;/h3-4,8-9,12H,2,5-7,10-11,17H2,1H3;1H
InChIKeyJAHKHCVPIHLZTQ-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.77
Rot. Bonds4

About [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride

[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride (PubChem CID 71639684) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
PubChem CID71639684
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
SMILESCCOc1nc2ccccc2nc1N1CCCCC1CN.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-2-21-16-15(20-10-6-5-7-12(20)11-17)18-13-8-3-4-9-14(13)19-16;/h3-4,8-9,12H,2,5-7,10-11,17H2,1H3;1H
InChIKeyJAHKHCVPIHLZTQ-UHFFFAOYSA-N
XLogP2.77
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanol
CID 97177742
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
CID 97177738
tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
CID 97177741
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310
[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
CID 71648493
[1-(1,2,4-benzotriazin-3-yl)azepan-2-yl]methanamine
CID 103205238
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71644476

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride (CID 71639684) is [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride is CCOc1nc2ccccc2nc1N1CCCCC1CN.Cl.
What is the InChIKey of [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is JAHKHCVPIHLZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-2-21-16-15(20-10-6-5-7-12(20)11-17)18-13-8-3-4-9-14(13)19-16;/h3-4,8-9,12H,2,5-7,10-11,17H2,1H3;1H.
What are the key properties of [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride?
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 71639684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).